Molecule

ID:52213

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂OS
Molecular Mass
160.23728
Exact Mass
160.06703401
Charge
0
InChI
InChI=1S/C6H12N2OS/c7-6(10)8-4-5-2-1-3-9-5/h5H,1-4H2,(H3,7,8,10)
InChIKey
DYYSJNQVLWANCC-UHFFFAOYSA-N
Canonic Smiles
NC(=S)NCC1CCCO1
Isomeric Smiles
N(C(=S)N)CC1OCCC1
Calculated Properties
JChem
Acid pKa
-4.1829567
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.16829978
LogD (pH = 7.4)
0.16829899
Log P
0.16830082
Molar Refractivity
44.2849
Polarizability
17.452692
Polar Surface Area
47.28
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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